SCHEMBL927261

SCHEMBL927261

O=C(Cc1ccccc1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 19/20 1.00
ALDH1A1 P00352 1/20 1.00
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2D6 P10635 1/20 1.00
CYP2C9 P11712 1/20 1.00
HPGD P15428 1/20 1.00
ALOX15 P16050 1/20 1.00
TSHR P16473 1/20 1.00
ADORA2A P29274 1/20 1.00
ADORA1 P30542 1/20 1.00
CYP2C19 P33261 1/20 1.00
CREBBP Q92793 1/20 1.00
HSD17B10 Q99714 1/20 1.00
ADORA2B P29275 6/20 0.87

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29386608 1.00 ADORA3 (1.00) ADORA3ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL1663612 0.89 ADORA3 (1.00) ADORA3ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8111292 0.88 ADORA3 (1.00) ADORA3ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL1663767 0.87 ADORA3 (1.00) ADORA3ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL1666099 0.86 ADORA3 (1.00) ADORA3ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL1662148 0.86 ADORA3 (1.00) ADORA3ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL15124821 0.84 ADORA3 (0.81) ADORA3ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8106742 0.83 ADORA3 (1.00) ADORA3ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6379174 0.82 ADORA3 (0.91) ADORA3ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8097486 0.82 ADORA3 (0.86) ADORA3ALDH1A1CYP1A2CYP3A4CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 139 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210106605-A1 Adenosine Receptor Modulators for the Treatment of Circadian Rhythm Disorders OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-04-15 US claimed
US-20190209594-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CHEMORESISTANT ACUTE MYELOID LEUKEMIA (AML) UNIVERSITE PAUL SABATIER TOULOUSE III (FR) 2019-07-11 US claimed
US-20190111069-A1 Adenosine Receptor Modulators for the Treatment of Circadian Rhythm Disorders OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-04-18 US claimed
EP-3452092-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CHEMORESISTANT ACUTE MYELOID LEUKEMIA (AML) INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-03-13 EP claimed
EP-3280414-A1 ADENOSINE RECEPTOR MODULATORS FOR THE TREATMENT OF CIRCADIAN RHYTHM DISORDERS Oxford University Innovation Limited (GB) 2018-02-14 EP claimed
WO-2017191300-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CHEMORESISTANT ACUTE MYELOID LEUKEMIA (AML) INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-11-09 WO claimed
WO-2017178820-A1 ADENOSINE RECEPTOR MODULATORS FOR THE TREATMENT OF CIRCADIAN RHYTHM DISORDERS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-10-19 WO claimed
WO-2005079250-A2 PURINES ARE SELF-RENEWAL SIGNALS FOR NEURAL STEM CELLS, AND PURINE RECEPTOR ANTAGONISTS PROMOTE NEURONAL AND GLIAL DIFFERENTIATION THEREFROM CORNELL RESEARCH FOUNDATION, INC. (US) 2005-09-01 WO claimed
US-20050181503-A1 Purines are self-renewal signals for neural stem cells, and purine receptor antagonists promote neuronal and glial differentiation therefrom NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-08-18 US claimed
EP-1096975-B1 USE OF A3 ADENOSINE RECEPTOR ANTAGONISTS IN THE MANUFACTURE OF A MEDICAMENT FOR REDUCING INTRAOCULAR PRESSURE UNIV PENNSYLVANIA (US) 2005-03-16 EP claimed
JP-2004520404-A 2004-07-08 JP claimed
EP-1363644-A2 MODULATION OF GSK-3BETA ACTIVITY AND ITS DIFFERENT USES Can-Fite Biopharma Ltd. (IL) 2003-11-26 EP claimed
US-20020165197-A1 Administering adenosine receptor ligand CAN-FITE BIOPHARMA LTD. (IL) 2002-11-07 US claimed
WO-2002066020-A2 MODULATION OF GSK-3BETA ACTIVITY AND ITS DIFFERENT USES CAN-FITE BIOPHARMA LTD. (IL) 2002-08-29 WO claimed
US-20020115635-A1 Modulation of GSK-3beta activity and its different uses CAN-FITE TECHNOLOGIES LTD. (IL) 2002-08-22 US claimed
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed
WO-2001019360-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING AN ADENOSINE RECEPTOR AGONIST OR ANTAGONIST CAN-FITE BIOPHARMA LTD. (IL) 2001-03-22 WO disclosed
US-6066642-A FOR SELECTIVELY BLOCKING THE A3 ADENOSINE RECEPTOR OF A MAMMAL THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-05-23 US disclosed
WO-2000003741-A2 METHODS FOR REDUCING INTRAOCULAR PRESSURE USING A3-ADENOSINE ANTAGONISTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2000-01-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210106605-A1 Adenosine Receptor Modulators for the Treatment of Circadian Rhythm Disorders ADORA2A, ADORA2B, ADORA3 ADORA3 3/4885ALDH1A1 1054/4885CYP1A2 398/4885
US-20190111069-A1 Adenosine Receptor Modulators for the Treatment of Circadian Rhythm Disorders ADORA2A, ADORA2B, ADORA3 ADORA3 3/4885ALDH1A1 1054/4885CYP1A2 398/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.